4-(2-azanyl-2-oxidanylidene-ethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoranyl-2-methyl-phenyl)piperazin-4-ium-2-carboxamide hydrochloride

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoranyl-2-methyl-phenyl)piperazin-4-ium-2-carboxamide hydrochloride Openeye Name: 4-(2-amino-2-oxo-ethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-2-carboxamide hydrochloride CAS Name: 4-(2-amino-2-oxoethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoro-2-methylphenyl)-2-piperazin-4-iumcarboxamide hydrochloride IUPAC Name: 4-(2-amino-2-oxoethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoro-2-methylphenyl)piperazin-4-ium-2-carboxamide hydrochloride Traditional Name: 4-(2-amino-2-keto-ethyl)-6-[4,5-bis(4-fluorophenyl)pentyl]-4-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-2-carboxamide hydrochloride Formula: C31H37ClF3N4O2+ MolecularWeight: 590.09929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)[N+]2(CC(NC(C2)C(=O)N)CCCC(CC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)F)[N+]2(CC(NC(C2)C(=O)N)CCCC(CC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC(=O)N.Cl

InChI

InChI=1S/C31H35F3N4O2.ClH/c1-20-5-10-26(34)16-29(20)38(19-30(35)39)17-27(37-28(18-38)31(36)40)4-2-3-23(22-8-13-25(33)14-9-22)15-21-6-11-24(32)12-7-21;/h5-14,16,23,27-28,37H,2-4,15,17-19H2,1H3,(H3-,35,36,39,40);1H/p+1